2-[butyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]acetamide

C16H28N4O3 — CID 60503998

IUPAC2-[butyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]acetamide
SMILESCCCCN(CC(N)=O)CC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H28N4O3/c1-2-3-6-18(11-14(17)21)12-15(22)19-7-9-20(10-8-19)16(23)13-4-5-13/h13H,2-12H2,1H3,(H2,17,21)
InChIKeyVMYKDIVCCPIZNL-UHFFFAOYSA-N
MW324.43 g/mol
LogP-0.35
Rot. Bonds8

About 2-[butyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]acetamide

2-[butyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]acetamide (PubChem CID 60503998) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[butyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]acetamide
PubChem CID60503998
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name2-[butyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]acetamide
SMILESCCCCN(CC(N)=O)CC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H28N4O3/c1-2-3-6-18(11-14(17)21)12-15(22)19-7-9-20(10-8-19)16(23)13-4-5-13/h13H,2-12H2,1H3,(H2,17,21)
InChIKeyVMYKDIVCCPIZNL-UHFFFAOYSA-N
XLogP-0.35
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]amino]acetamide
CID 62050745
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[ethyl(2-methylprop-2-enyl)amino]ethanone
CID 87013516
1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone
CID 86910796
2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone
CID 63761864
1-[2-[butyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxamide
CID 60689284
4-[2-(didodecylamino)acetyl]piperazine-1-carboxylic acid
CID 129286600
2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone
CID 43137313
2-[2-aminoethyl(butyl)amino]-1-morpholin-4-ylethanone
CID 63758934
N-butyl-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 87022999
1-(cyclopropanecarbonyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005873
2-[butyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide
CID 47040095
ethane;1-(4-ethylpiperidin-1-yl)-2-[hexyl(propyl)amino]ethanone
CID 176968729

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]acetamide?
The IUPAC name of 2-[butyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]acetamide (CID 60503998) is 2-[butyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]acetamide is CCCCN(CC(N)=O)CC(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 2-[butyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]acetamide?
The InChIKey is VMYKDIVCCPIZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-2-3-6-18(11-14(17)21)12-15(22)19-7-9-20(10-8-19)16(23)13-4-5-13/h13H,2-12H2,1H3,(H2,17,21).
What are the key properties of 2-[butyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]acetamide?
2-[butyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]acetamide has a molecular weight of 324.43 g/mol, XLogP of -0.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 60503998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).